3TOS
Crystal Structure of CalS11, Calicheamicin Methyltransferase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008171 | molecular_function | O-methyltransferase activity |
| B | 0008171 | molecular_function | O-methyltransferase activity |
| C | 0008171 | molecular_function | O-methyltransferase activity |
| D | 0008171 | molecular_function | O-methyltransferase activity |
| E | 0008171 | molecular_function | O-methyltransferase activity |
| F | 0008171 | molecular_function | O-methyltransferase activity |
| G | 0008171 | molecular_function | O-methyltransferase activity |
| H | 0008171 | molecular_function | O-methyltransferase activity |
| I | 0008171 | molecular_function | O-methyltransferase activity |
| J | 0008171 | molecular_function | O-methyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE SAH A 258 |
| Chain | Residue |
| A | GLU75 |
| A | PHE112 |
| A | PRO113 |
| A | PHE130 |
| A | GLY165 |
| A | ASP166 |
| A | VAL167 |
| A | ASP189 |
| A | LEU190 |
| A | ASP191 |
| A | PRO195 |
| A | GLY77 |
| A | HOH1106 |
| A | HOH1651 |
| A | HOH1970 |
| A | HOH2349 |
| D | HOH1165 |
| A | VAL78 |
| A | ARG79 |
| A | ARG82 |
| A | HIS83 |
| A | ASP107 |
| A | THR108 |
| A | GLY111 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GLU A 259 |
| Chain | Residue |
| A | PHE130 |
| A | ASP189 |
| A | ASP216 |
| A | GLU217 |
| A | TRP223 |
| A | NA260 |
| A | HOH267 |
| A | HOH595 |
| A | HOH2005 |
| A | HOH2129 |
| A | HOH2409 |
| A | HOH2453 |
| A | HOH2660 |
| A | HOH3771 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA A 260 |
| Chain | Residue |
| A | ASP216 |
| A | GLU217 |
| A | ALA249 |
| A | GLU259 |
| A | EDO261 |
| A | HOH1959 |
| A | HOH3075 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 261 |
| Chain | Residue |
| A | ASP55 |
| A | MSE59 |
| A | TYR187 |
| A | ASP216 |
| A | ALA249 |
| A | NA260 |
| A | HOH265 |
| A | HOH5711 |
| site_id | AC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH B 258 |
| Chain | Residue |
| B | GLU75 |
| B | GLY77 |
| B | VAL78 |
| B | ARG79 |
| B | ARG82 |
| B | HIS83 |
| B | ASP107 |
| B | THR108 |
| B | GLY111 |
| B | PHE112 |
| B | PRO113 |
| B | GLY165 |
| B | ASP166 |
| B | VAL167 |
| B | ASP189 |
| B | LEU190 |
| B | ASP191 |
| B | PRO195 |
| B | HOH455 |
| B | HOH1301 |
| B | HOH1480 |
| B | HOH1779 |
| C | HOH1285 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GLU B 259 |
| Chain | Residue |
| B | PHE130 |
| B | ASP189 |
| B | ASP216 |
| B | GLU217 |
| B | LYS222 |
| B | TRP223 |
| B | NA260 |
| B | HOH279 |
| B | HOH447 |
| B | HOH565 |
| B | HOH2512 |
| B | HOH2900 |
| B | HOH3146 |
| B | HOH3241 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B 260 |
| Chain | Residue |
| B | ASP216 |
| B | GLU217 |
| B | ALA249 |
| B | GLU259 |
| B | EDO261 |
| B | HOH3520 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 261 |
| Chain | Residue |
| B | ASP216 |
| B | ALA249 |
| B | PRO250 |
| B | NA260 |
| B | HOH544 |
| B | ASP55 |
| B | MSE59 |
| B | TYR187 |
| site_id | AC9 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH C 258 |
| Chain | Residue |
| B | HOH1581 |
| C | GLU75 |
| C | GLY77 |
| C | VAL78 |
| C | ARG79 |
| C | ARG82 |
| C | HIS83 |
| C | ASP107 |
| C | THR108 |
| C | GLY111 |
| C | PHE112 |
| C | PRO113 |
| C | PHE130 |
| C | GLY165 |
| C | ASP166 |
| C | VAL167 |
| C | ASP189 |
| C | LEU190 |
| C | PRO195 |
| C | HOH448 |
| C | HOH1132 |
| C | HOH1215 |
| C | HOH1724 |
| site_id | BC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE GLU C 259 |
| Chain | Residue |
| C | PHE130 |
| C | ASP189 |
| C | ASP216 |
| C | GLU217 |
| C | LYS222 |
| C | TRP223 |
| C | NA260 |
| C | EDO261 |
| C | HOH526 |
| C | HOH570 |
| C | HOH596 |
| C | HOH761 |
| C | HOH2188 |
| C | HOH2202 |
| C | HOH2976 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C 260 |
| Chain | Residue |
| C | ASP216 |
| C | GLU217 |
| C | GLU259 |
| C | EDO261 |
| C | HOH472 |
| C | HOH1805 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO C 261 |
| Chain | Residue |
| C | ASP55 |
| C | TYR187 |
| C | ASP216 |
| C | ALA249 |
| C | GLU259 |
| C | NA260 |
| C | HOH4195 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 262 |
| Chain | Residue |
| B | THR31 |
| C | THR31 |
| C | LEU40 |
| C | HOH4110 |
| site_id | BC5 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE SAH D 258 |
| Chain | Residue |
| A | HOH1177 |
| D | GLU75 |
| D | GLY77 |
| D | VAL78 |
| D | ARG79 |
| D | ARG82 |
| D | HIS83 |
| D | ASP107 |
| D | THR108 |
| D | GLY111 |
| D | PHE112 |
| D | PRO113 |
| D | PHE130 |
| D | GLY165 |
| D | ASP166 |
| D | VAL167 |
| D | ASP189 |
| D | LEU190 |
| D | ASP191 |
| D | PRO195 |
| D | HOH1338 |
| D | HOH1532 |
| D | HOH1848 |
| D | HOH2398 |
| site_id | BC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GLU D 259 |
| Chain | Residue |
| D | PHE130 |
| D | ASP189 |
| D | ASP216 |
| D | GLU217 |
| D | TRP223 |
| D | NA260 |
| D | HOH614 |
| D | HOH2046 |
| D | HOH2562 |
| D | HOH3290 |
| D | HOH3416 |
| D | HOH3668 |
| D | HOH5957 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D 260 |
| Chain | Residue |
| D | ASP216 |
| D | GLU217 |
| D | ALA249 |
| D | GLU259 |
| D | EDO261 |
| D | HOH2055 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO D 261 |
| Chain | Residue |
| D | ASP55 |
| D | TYR187 |
| D | ASP216 |
| D | ALA249 |
| D | PRO250 |
| D | NA260 |
| D | HOH272 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO D 262 |
| Chain | Residue |
| A | THR31 |
| D | THR31 |
| D | HOH5438 |
| site_id | CC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH E 258 |
| Chain | Residue |
| E | GLU75 |
| E | GLY77 |
| E | VAL78 |
| E | ARG79 |
| E | ARG82 |
| E | HIS83 |
| E | ASP107 |
| E | THR108 |
| E | GLY111 |
| E | PHE112 |
| E | PRO113 |
| E | GLY165 |
| E | ASP166 |
| E | VAL167 |
| E | ASP189 |
| E | LEU190 |
| E | ASP191 |
| E | PRO195 |
| E | HOH1344 |
| E | HOH1353 |
| E | HOH1994 |
| E | HOH2371 |
| I | HOH1314 |
| site_id | CC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GLU E 259 |
| Chain | Residue |
| B | SER1 |
| E | PHE130 |
| E | ASP189 |
| E | ASP216 |
| E | GLU217 |
| E | TRP223 |
| E | NA260 |
| E | HOH270 |
| E | HOH2273 |
| E | HOH2595 |
| E | HOH3043 |
| E | HOH3081 |
| E | HOH3571 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 260 |
| Chain | Residue |
| E | ASP216 |
| E | GLU217 |
| E | ALA249 |
| E | GLU259 |
| E | EDO261 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO E 261 |
| Chain | Residue |
| E | ASP55 |
| E | MSE59 |
| E | TYR187 |
| E | ASP216 |
| E | ALA249 |
| E | PRO250 |
| E | NA260 |
| E | HOH5185 |
| site_id | CC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH F 258 |
| Chain | Residue |
| F | GLU75 |
| F | GLY77 |
| F | VAL78 |
| F | ARG79 |
| F | ARG82 |
| F | HIS83 |
| F | ASP107 |
| F | THR108 |
| F | GLY111 |
| F | PHE112 |
| F | PRO113 |
| F | PHE130 |
| F | GLY165 |
| F | ASP166 |
| F | VAL167 |
| F | ASP189 |
| F | LEU190 |
| F | PRO195 |
| F | HOH461 |
| F | HOH1261 |
| F | HOH1355 |
| F | HOH1621 |
| G | HOH1427 |
| site_id | CC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GLU F 259 |
| Chain | Residue |
| F | PHE130 |
| F | ASP189 |
| F | ASP216 |
| F | GLU217 |
| F | TRP223 |
| F | NA260 |
| F | HOH268 |
| F | HOH503 |
| F | HOH504 |
| F | HOH2185 |
| F | HOH2424 |
| F | HOH3753 |
| F | HOH3812 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA F 260 |
| Chain | Residue |
| F | ASP216 |
| F | GLU217 |
| F | ALA249 |
| F | GLU259 |
| F | EDO261 |
| F | HOH1850 |
| F | HOH3682 |
| site_id | CC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO F 261 |
| Chain | Residue |
| F | ASP55 |
| F | MSE59 |
| F | TYR187 |
| F | ASP216 |
| F | ALA249 |
| F | PRO250 |
| F | NA260 |
| F | HOH568 |
| F | HOH1457 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 262 |
| Chain | Residue |
| F | THR31 |
| F | HOH865 |
| G | THR31 |
| G | LEU40 |
| site_id | DC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH G 258 |
| Chain | Residue |
| F | HOH1149 |
| G | GLU75 |
| G | GLY77 |
| G | VAL78 |
| G | ARG79 |
| G | ARG82 |
| G | HIS83 |
| G | ASP107 |
| G | THR108 |
| G | GLY111 |
| G | PHE112 |
| G | PRO113 |
| G | PHE130 |
| G | GLY165 |
| G | ASP166 |
| G | VAL167 |
| G | ASP189 |
| G | LEU190 |
| G | PRO195 |
| G | HOH1182 |
| G | HOH1283 |
| G | HOH1679 |
| G | HOH2125 |
| site_id | DC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GLU G 259 |
| Chain | Residue |
| G | PHE130 |
| G | ASP189 |
| G | ASP216 |
| G | GLU217 |
| G | TRP223 |
| G | NA260 |
| G | HOH930 |
| G | HOH1986 |
| G | HOH2581 |
| G | HOH3046 |
| G | HOH3277 |
| G | HOH3701 |
| G | HOH3904 |
| G | HOH5939 |
| site_id | DC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA G 260 |
| Chain | Residue |
| G | ASP216 |
| G | GLU217 |
| G | ALA249 |
| G | GLU259 |
| G | EDO261 |
| G | HOH876 |
| G | HOH1761 |
| site_id | DC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO G 261 |
| Chain | Residue |
| G | ASP55 |
| G | TYR187 |
| G | ASP216 |
| G | ALA249 |
| G | NA260 |
| G | HOH1654 |
| G | HOH3236 |
| site_id | DC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH H 258 |
| Chain | Residue |
| H | GLU75 |
| H | GLY77 |
| H | VAL78 |
| H | ARG79 |
| H | ARG82 |
| H | HIS83 |
| H | ASP107 |
| H | THR108 |
| H | GLY111 |
| H | PHE112 |
| H | PRO113 |
| H | PHE130 |
| H | GLY165 |
| H | ASP166 |
| H | VAL167 |
| H | ASP189 |
| H | LEU190 |
| H | ASP191 |
| H | PRO195 |
| H | HOH1541 |
| H | HOH1746 |
| H | HOH1921 |
| J | HOH1589 |
| site_id | DC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GLU H 259 |
| Chain | Residue |
| H | PHE130 |
| H | ASP189 |
| H | ASP216 |
| H | GLU217 |
| H | TRP223 |
| H | NA260 |
| H | HOH562 |
| H | HOH1025 |
| H | HOH2077 |
| H | HOH2527 |
| H | HOH2884 |
| H | HOH3276 |
| H | HOH3873 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA H 260 |
| Chain | Residue |
| H | ASP216 |
| H | GLU217 |
| H | GLU259 |
| H | EDO261 |
| H | HOH522 |
| site_id | DC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO H 261 |
| Chain | Residue |
| H | ASP55 |
| H | TYR187 |
| H | ASP216 |
| H | ALA249 |
| H | PRO250 |
| H | NA260 |
| H | HOH1831 |
| site_id | DC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GLU I 258 |
| Chain | Residue |
| I | PHE130 |
| I | ASP189 |
| I | ASP216 |
| I | GLU217 |
| I | TRP223 |
| I | NA259 |
| I | HOH486 |
| I | HOH540 |
| I | HOH559 |
| I | HOH582 |
| I | HOH1895 |
| I | HOH2096 |
| I | HOH2167 |
| I | HOH2367 |
| site_id | EC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA I 259 |
| Chain | Residue |
| I | ASP216 |
| I | GLU217 |
| I | ALA249 |
| I | GLU258 |
| I | EDO260 |
| I | HOH1770 |
| I | HOH2780 |
| site_id | EC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO I 260 |
| Chain | Residue |
| I | ASP55 |
| I | MSE59 |
| I | TYR187 |
| I | ASP216 |
| I | ALA249 |
| I | NA259 |
| I | HOH1529 |
| I | HOH4255 |
| site_id | EC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE SAH I 261 |
| Chain | Residue |
| E | HOH1115 |
| I | GLU75 |
| I | GLY77 |
| I | VAL78 |
| I | ARG79 |
| I | ARG82 |
| I | HIS83 |
| I | ASP107 |
| I | THR108 |
| I | GLY111 |
| I | PHE112 |
| I | PRO113 |
| I | GLY165 |
| I | ASP166 |
| I | VAL167 |
| I | ASP189 |
| I | LEU190 |
| I | PRO195 |
| I | HOH283 |
| I | HOH1109 |
| I | HOH1311 |
| I | HOH1688 |
| site_id | EC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO I 262 |
| Chain | Residue |
| I | THR31 |
| I | HOH5318 |
| site_id | EC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE SAH J 258 |
| Chain | Residue |
| H | HOH1459 |
| J | GLU75 |
| J | GLY77 |
| J | VAL78 |
| J | ARG79 |
| J | ARG82 |
| J | HIS83 |
| J | ASP107 |
| J | THR108 |
| J | GLY111 |
| J | PHE112 |
| J | PRO113 |
| J | GLY165 |
| J | ASP166 |
| J | VAL167 |
| J | ASP189 |
| J | LEU190 |
| J | ASP191 |
| J | PRO195 |
| J | HOH1760 |
| J | HOH1790 |
| J | HOH1870 |
| J | HOH2296 |
| site_id | EC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GLU J 259 |
| Chain | Residue |
| J | PHE130 |
| J | ASP189 |
| J | ASP216 |
| J | GLU217 |
| J | TRP223 |
| J | NA260 |
| J | HOH270 |
| J | HOH2174 |
| J | HOH2942 |
| J | HOH3088 |
| J | HOH3279 |
| J | HOH3578 |
| J | HOH3791 |
| site_id | EC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA J 260 |
| Chain | Residue |
| J | ASP216 |
| J | GLU217 |
| J | ALA249 |
| J | GLU259 |
| J | EDO262 |
| J | HOH1686 |
| J | HOH2617 |
| site_id | EC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO J 261 |
| Chain | Residue |
| H | THR31 |
| J | LEU30 |
| J | THR31 |
| J | LEU40 |
| J | HOH266 |
| site_id | EC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO J 262 |
| Chain | Residue |
| J | ASP55 |
| J | TYR187 |
| J | ASP216 |
| J | ALA249 |
| J | PRO250 |
| J | NA260 |
| J | HOH1715 |
